UCSF

ZINC00538598

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

Popular Name: (2S,3R,4S,5S)-2-methylol-5-(2,5,6-trichlorobenzimidazol-1-yl)tetrahydrofuran-3,4-diol (2S,3R,4S,5S)-2-methylol-5-(2,5,…

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Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 -1.48 -13.04 3 6 0 88 353.589 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 2900 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50530 Z50530 Human Herpesvirus 5 2900 0.37 Functional ≤ 10μM

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )